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Molecular and electron structure of heteropoly complexes. 4. Reduced forms of heteropolyanions

✍ Scribed by L. P. Kazanskii


Book ID
112438642
Publisher
Springer
Year
1978
Tongue
English
Weight
385 KB
Volume
27
Category
Article
ISSN
1573-9171

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We report the results of computational studies performed on the lowest doublet and quartet states of GaO 4 . Using density functional theory (DFT) and coupled cluster approach with 6-311+G(2df) basis set, the C s end-on bonded superoxo complex proposed earlier for GaO 4 , from matrix experiments and